Phosphorodichloridothious acid, phenyl ester
Basic information
- CAS
14684-25-4- Standard SMILES
ClP(Cl)Sc1ccccc1- InChIKey
LMBQGRQPMWBWAK-UHFFFAOYSA-N- Molecular formula
- C6H5Cl2PS
- Average molar mass
- 211.05 g/mol
- Monoisotopic mass
- 209.9226637
Names & identifiers
- Preferred name
- Phosphorodichloridothious acid, phenyl ester
- IUPAC
- dichloro(phenylsulfanyl)phosphane
- English name
- BENZENE PHOSPHONIC THIODICHLORIDE
- Molecular formula
- C6H5Cl2PS
- Molecular weight
- 211.05
Names & synonyms
Phosphorodichloridothious acid, phenyl ester14684-25-4DTXSID3074282RefChem:173866DTXCID5034779Benzene phosphonic thiodichloridephenyl dichlorothiophosphiteSCHEMBL10354151Phosphorodichloridothious acid methyl esterDichloridothiophosphorous acid phenyl ester
Database identifiers
- CAS
14684-25-4- PubChem CID
- 61759
- DTXSID
DTXSID3074282- Nikkaji
- J34.652G
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 93.7
Experimental & physicochemical properties
Chemical ClassesCorrosives
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Boiling point
- 62.5 · 62.5-63 °C(Press: 0.04 Torr)
- Density
- 1.3797 g/cm3 · 1.3797 g/cm3
- EPA Substance Registry System
- Phosphorodichloridothious acid, phenyl ester (14684-25-4)
- RIDADR
- 2799 · 2799
- HazardClass
- 8 · 8
- PackingGroup
- II
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Hazard Classes and CategoriesCorrosives, Reactive agents - 1st degree
Safety data
- ridadr
- 2799
- hazard_class
- 8
- packing_group
- II
Chemistry & industry
Applications
General DescriptionA colorless fuming liquid. Corrosive to metals and tissue.
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Compound notes
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